CAS RN: 82597-82-8
CYCLO(-PHE-TRP)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251017 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS82597-82-8
- Purity/Analytical Methods: >99.0%
82597-82-8 / 3-benzyl-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione
Basic Information
CAS
82597-82-8
Multi CAS
Yes
Molecular Formula
C20H19N3O2
Molecular Weight
333.400000
Exact Mass
333.147727
InChI
InChI=1S/C20H19N3O2/c24-19-17(10-13-6-2-1-3-7-13)22-20(25)18(23-19)11-14-12-21-16-9-5-4-8-15(14)16/h1-9,12,17-18,21H,10-11H2,(H,22,25)(H,23,24)
InChIKey
CUVKAUWOMPJEMI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
15
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
3
Molar refractivity
96.01
TPSA
73.99
LogP / Solubility
WLOGP
1.94
MLOGP
1.72
XLogP3
2.8
Consensus LogP
2.15
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.91
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4
Customers Also Viewed
-
Pseudolaric Acid C
- CAS RN: 82601-41-0
- Product Code: starshine_CAS82601-41-0
- Purity/Analytical method: >99.0%
-
(R)-2-(3-(tert-butoxycarbonylamino)-2-oxopiperidin-1-yl)acetic acid
- CAS RN: 82611-51-6
- Product Code: starshine_CAS82611-51-6
- Purity/Analytical method: >99.0%
-
N-Ethyl-N-(3-sulfopropyl)-3-methoxyaniline sodium salt
- CAS RN: 82611-88-9
- Product Code: starshine_CAS82611-88-9
- Purity/Analytical method: >99.0%
-
S-1-(4-Methylbenzenesulfonate)-1,3-Butanediol
- CAS RN: 82614-88-8
- Product Code: starshine_CAS82614-88-8
- Purity/Analytical method: >99.0%
-
-
